(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H15N3O6S4 MolecularWeight: 485.5775

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S4/c1-27-15-3-2-13(6-14(15)20(22)23)30(24,25)18-7-16(21)26-8-12-10-29-17(19-12)11-4-5-28-9-11/h2-6,9-10,18H,7-8H2,1H3